Information card for entry 7702577

Structure parameters

• Formula: C70 H56 Cl3 Nb O2
• Calculated formula: C70 H56 Cl3 Nb O2
• Title of publication: Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation
• Authors of publication: Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 13
• Pages of publication: 2020
• a: 11.3325 ± 0.0002 Å
• b: 21.2903 ± 0.0003 Å
• c: 23.934 ± 0.0004 Å
• α: 90°
• β: 96.2926 ± 0.0009°
• γ: 90°
• Cell volume: 5739.82 ± 0.16 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No